List of works - Michela Taufer

A lightweight method for evaluating in situ workflow efficiency

scientific article published in January 2021

A scalable and accurate method for classifying protein–ligand binding geometries using a MapReduce approach ⬇️

scientific article published on 02 June 2012

A survey of algorithms for transforming molecular dynamics data into metadata for in situ analytics based on machine learning methods

scientific article published on 20 January 2020

Applicability Study of the PRIMAD Model to LIGO Gravitational Wave Search Workflows

scientific article published on 17 June 2019

EduHPC Lightning Talk Summary

scientific article published on 10 November 2023

End-to-end Integration of Scientific Workflows on Distributed Cyberinfrastructures: Challenges and Lessons Learned with an Earth Science Application

scientific article published on 04 April 2024

Enhancing reproducibility for computational methods

scientific article published in December 2016

Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein–Ligand Binding Geometry and Free Energy ⬇️

scientific article published on June 6, 2011

Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations.

scientific article published on 13 April 2015

In situ data analytics and indexing of protein trajectories

scientific article

Initial Thoughts on Cybersecurity And Reproducibility

scientific article published on 17 June 2019

Rapid Earthquake Characterization Using MEMS Accelerometers and Volunteer Hosts Following the M 7.2 Darfield, New Zealand, Earthquake

article

Reproducibility of the First Image of a Black Hole in the Galaxy M87 From the Event Horizon Telescope Collaboration

Reproducing GW150914: The First Observation of Gravitational Waves From a Binary Black Hole Merger

scientific article published on 12 February 2021

Reproducing the Results for Neutron Star Interior Composition Explorer Observation of PSR J0030 + 0451

scientific article published in November 2023

Runtime Steering of Molecular Dynamics Simulations Through In Situ Analysis and Annotation of Collective Variables

scientific article published on 26 June 2023

Secondary Structure Predictions for Long RNA Sequences Based on Inversion Excursions and MapReduce

scientific article published in May 2013

Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs) ⬇️

scientific article published on July 26, 2011

Studying Latency and Throughput Constraints for Geo-Distributed Data in the National Science Data Fabric

scientific article published on 07 August 2023

Thicket: Seeing the Performance Experiment Forest for the Individual Run Trees